Modeling by threading (Tito software)
Unconserved sides chains calculation (Scwrl software)
Evaluation (QMean software)
Input alignment information:
Query sequence
MHTQVHTARLVHTADLDSETRQDIRQMVTGAFAGDFTETDWEHTLG--GMHALIWH-HGAIIAHAAVIQRRLIYR----GNALRCGYVEGVAVRADWRGQRLVSALLDAVEQVMR-----GAYQLGALSSSARARRLYASRGWLPWHGPTSVLAPTGPVRTPDDDGTVFVLPIDISLDTSAELMCDWRAGDVW
4R3L Chain:A ((11-154))
----DFTLRNARMDDI-----DQIIKINRLTLPENYPYYFFVEHLKEYGLAFFVAIVDNSVVGYIMPRIEWGFSNIKQLPSLVRKGHVVSIAVLEEYRRKGIATTLLEASMKSMKNDYNAEEIYLEVRVSNYPAIALYEKLNFKKVKVLKGYY----------------------------------------
General information:
TITO was launched using:
RESULT:
Template:
4R3L.pdb
Alignment :
align.pir
Tito was launched with SMD and SCWRL
Tito text output
3D Compatibility (PKB) -92205 for 902 contacts (-102.2/contact) +
2D Compatibility (PS) -13910 + (NN) -2859 + (LL) 2268
1D Compatibility (HY) -5600 + (ID) 1050
Total energy: -113356.0 ( -125.67 by residue)
QMean score : 0.387
(partial model without unconserved sides chains):
PDB file :
Tito_4R3L.pdb
:
(Unconserved sides chains are recalculated) :
Sequence:
align-4R3L-query.scw
PDB file :
Tito_Scwrl_4R3L.pdb
: